Activation of Cryptochrome 4 from Atlantic Herring

Biology, Год журнала: 2024, Номер 13(4), С. 262 - 262

Опубликована: Апрель 15, 2024

Marine fish migrate long distances up to hundreds or even thousands of kilometers for various reasons that include seasonal dependencies, feeding, reproduction. The ability perceive the geomagnetic field, called magnetoreception, is one many mechanisms allowing some navigate reliably in aquatic realm. While it believed photoreceptor protein cryptochrome 4 (Cry4) key component radical pair-based magnetoreception mechanism night migratory songbirds, Cry4 still largely unexplored. present study aims investigate properties order understand potential involvement a magnetoreception. Specifically, computationally reconstructed atomistic model from Atlantic herring (Clupea harengus) was studied employing classical molecular dynamics (MD) and quantum mechanics/molecular mechanics (QM/MM) methods internal electron transfers pair formation. QM/MM simulations reveal occur similarly those found experimentally European robin (Erithacus rubecula). It therefore plausible investigated has physical chemical form pairs turn could provide with magnetic field compass sensor.

Язык: Английский

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Mutational Study of the Tryptophan Tetrad Important for Electron Transfer in European Robin Cryptochrome 4a

ACS Omega, Год журнала: 2023, Номер 8(29), С. 26425 - 26436

Опубликована: Июль 12, 2023

The ability of migratory birds to sense magnetic fields has been known for decades, although the understanding underlying mechanism is still elusive. Currently, strongest magnetoreceptor candidate in a protein called cryptochrome 4a. 4a changed through evolution, apparently endowing some with more pronounced sensitivity than others. Using phylogenetic tools, we show that specific tryptophan tetrad and tyrosine residue predicted be essential activation are highly conserved avian clade. Through state-of-the-art molecular dynamics simulations associated analyses, also studied role these residues mutants on overall protein. analyses single mutations were used judge how far local change structure can impact European robin We conclude replacements each tryptophans one by phenylalanine do not compromise stability

Язык: Английский

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Structural Flexibility Slows Down Charge Transfers in Diaminoterephthalate-C₆₀ Dyads

The Journal of Physical Chemistry C, Год журнала: 2024, Номер 128(6), С. 2380 - 2391

Опубликована: Фев. 5, 2024

In recent years, research has emphasized the significant influence of vibronic couplings on charge separation in donor–acceptor molecules and thin films. Diaminoterephthalates (DATs), known for their versatile optical electronic properties, are intriguing donor materials. Efficient, vibronically assisted DAT-acceptor dyads been suggested. This study therefore investigates dynamics DAT-linker-fullerene a polar solvent by using transient absorption spectroscopy. The results demonstrate photoinduced electron transfers with close to unity efficiency, occurring within 10–80 ps benzene biphenyl linkers. Surprisingly, there is lack orientational alignment between acceptor units, indicating notable conformational flexibility that hinders transfer. Time-dependent density functional calculations support this finding. obtained insights crucial developing comprehending charge-transfer under strong coupling conditions.

Язык: Английский

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The Effect of Spin Relaxation on Magnetic Compass Sensitivity in ErCry4a

ChemPhysChem, Год журнала: 2024, Номер unknown

Опубликована: Апрель 26, 2024

This study explores the impact of thermal motion on magnetic compass mechanism in migratory birds, focusing radical pair within cryptochrome photoreceptors. The coherence pairs, crucial for field inference, is curbed by spin relaxation induced intra-protein motion. Molecular dynamics simulations, density-functional-theory-based calculations, and calculations were employed, utilizing Bloch-Redfield-Wangsness (BRW) theory, to investigate sensitivity. Previous research hypothesized that European robin's 4a (ErCry4a) optimized minimize relaxation, enhancing sensing compared plant Arabidopsis thaliana's 1 (AtCry1). Different correlation times nuclear hyperfine coupling constants AtCry1 ErCry4a indeed found, leading distinct recombination yields two species, with showing However, this optimization likely negligible realistic systems numerous spins. Beyond insights sensing, presents a detailed method employing molecular simulations assess effects chemical reactions realistically modelled protein motion, relevant studying at finite temperature.

Язык: Английский

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Understanding the Red Shift in the Absorption Spectrum of the FAD Cofactor in ClCry4 Protein

The Journal of Physical Chemistry B, Год журнала: 2024, Номер 128(22), С. 5320 - 5326

Опубликована: Май 28, 2024

It is still a puzzle that has not been entirely solved how migratory birds utilize the Earth's magnetic field for biannual migration. The most consistent explanation thus far rooted in modulation of biological function cryptochrome 4 (Cry4) protein by an external field. This phenomenon closely linked with flavin adenine dinucleotide (FAD) cofactor noncovalently bound protein. Cry4 activated blue light, which absorbed FAD cofactor. Subsequent electron and proton transfers trigger radical pair formation protein, sensitive to An important long-lasting redox state signaling (FADH•) state, present after transient transfer steps have completed. Recent experimental efforts succeeded crystallizing from Columbia livia (ClCry4) all residues needed photoreduction. specific crystallization so only avian crystal structure available, which, however, great similarity proteins night birds. previous studies ClCry4 included absorption properties its different states. spectrum FADH• demonstrated peculiar red shift compared photoabsorption other Cry species. aim this study understand employing tools computational microscopy and, particular, QM/MM approach relies on polarizable embedding approximation.

Язык: Английский

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Quantum phenomena in biological systems

Frontiers in Quantum Science and Technology, Год журнала: 2024, Номер 3

Опубликована: Окт. 30, 2024

Quantum biology is a modern field of research that aims to understand how quantum effects can affect the chemistry underlying various biological processes. This paper reviews several examples processes where might play notable role. Initially, photon capture mechanism present in vision discussed, energy used cause conformational changes chromophoric proteins. The second example elaborates highly efficient transfer process photosynthesis and discusses, particular, random walk may enhance performance drastically. Subsequently, vertebrate magnetoreception, possible associated role radical pair considered. review concludes with discussion some speculative ideas putative arising neural

Язык: Английский

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Comparison of retinol binding protein 1 with cone specific G-protein as putative effector molecules in cryptochrome signalling

Scientific Reports, Год журнала: 2024, Номер 14(1)

Опубликована: Ноя. 16, 2024

Abstract Vision and magnetoreception in navigating songbirds are strongly connected as recent findings link a light dependent radical-pair mechanism cryptochrome proteins to signalling pathways cone photoreceptor cells. A previous yeast-two-hybrid screening approach identified six putative candidate showing binding type 4a. So far, only the interaction of specific G-protein transducin α-subunit was investigated more detail. In present study, we compare features with those another from screen, cellular retinol protein. Purified recombinant European robin protein bound high affinity, displaying an EC 50 less than 5 nM, thereby demonstrating its functional state. We applied surface plasmon resonance Förster transfer analysis test for interactions between absence retinol, observed no robust events, which contrasts strong 4a α-subunit. conclude that is unlikely be involved primary magnetosensory cascade.

Язык: Английский

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Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment

arXiv (Cornell University), Год журнала: 2023, Номер unknown

Опубликована: Янв. 1, 2023

This paper reviews the new highly interdisciplinary research field studying behavior of condensed matter systems exposed to radiation. The highlights several relevant examples recent advances in and provides a roadmap for development next decade. Condensed radiation may have very different natures, being inorganic, organic or biological, finite infinite, be composed many molecular species materials, existing phases (solid, liquid, gaseous plasma) operating under thermodynamic conditions. essential novel element this is that, despite vast diversity such systems, key phenomena related irradiated (such as radiation-induced damage, mechanisms damage repair control, protection, etc.) are similar can understood based on same fundamental theoretical principles computational approaches. One features aforementioned concerns their multiscale nature manifestation effects occurring at spatial temporal scales ranging from atomic macroscopic. similarity origins necessarily brings together disciplines, physics, chemistry, biology, materials nano-science, biomedical research, demonstrating numerous interlinks commonalities between them. emerging technologies medical applications.

Язык: Английский

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European Robin Cryptochrome-4a Associates with Lipid Bilayers in an Ordered Manner, Fulfilling a Molecular-Level Condition for Magnetoreception

bioRxiv (Cold Spring Harbor Laboratory), Год журнала: 2024, Номер unknown

Опубликована: Июль 23, 2024

Abstract Since the middle of 20th century, long-distance avian migration has been known to rely partly on geomagnetic field. However, underlying sensory mechanism is still not fully understood. Cryptochrome 4a (ErCry4a), found in European Robin ( Erithacus rubecula ), a night-migratory songbird suggested be magnetic molecule. It sensitive external fields via so-called radical-pair mechanism. ErCry4a primarily located outer segments double cone photoreceptor cells eye, which contain stacked and highly ordered membranes that could facilitate anisotropic attachment needed for compass sensing. Here, we investigate possible interactions with model membrane mimics lipid composition vertebrate by using experimental computational approaches. Experimental results show controlled physical state molecules (average area per lipid) leaflet bilayer. Furthermore, polarization modulation infrared reflection absorption spectroscopy allowed us determine conformation, motional freedom, average orientation α- helices membrane-associated state. Atomistic molecular dynamics studies supported results. A ∼1000 kcal mol −1 decrease interaction energy as result binding was determined compared cases where no protein occurred. At level, seems involve negatively charged carboxylate groups phosphoserine lipids C-terminal residues ErCry4a. Our study reveals potential direct discusses how this an essential step propagate signal further thus fulfill role magnetoreceptor.

Язык: Английский

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Comparison of retinol binding protein 1 with cone specific G-protein as putative effector molecules in cryptochrome signalling

bioRxiv (Cold Spring Harbor Laboratory), Год журнала: 2024, Номер unknown

Опубликована: Авг. 27, 2024

Abstract Vision and magnetoreception in navigating songbirds are strongly connected as recent findings link a light dependent radical-pair mechanism cryptochrome proteins to signalling pathways cone photoreceptor cells. A previous yeast-two-hybrid screening approach identified six putative candidate showing binding type 4a. So far, only the interaction of specific G-protein transducin α-subunit was investigated more detail. In present study, we compare features with those another from screen, cellular retinol protein. Purified recombinant European robin protein bound high affinity, displaying an EC 50 less than 5 nM, thereby demonstrating its functional state. We applied surface plasmon resonance Förster transfer analysis test for interactions between absence retinol, observed no robust events, which contrasts strong 4a α-subunit. conclude that is unlikely be involved primary magnetosensory cascade.

Язык: Английский

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